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N-(6-iodo-2-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)isonicotinamide
SpectraBase Compound ID 3KPwCn7bhjY
InChI InChI=1S/C27H22IN5O3S/c1-36-23-8-5-18(14-19(23)16-37-24-4-2-3-11-30-24)25-31-22-7-6-20(28)15-21(22)27(35)33(25)32-26(34)17-9-12-29-13-10-17/h2-15,25,31H,16H2,1H3,(H,32,34)
InChIKey LUKCWEYYWQFRAG-UHFFFAOYSA-N
Mol Weight 623.47 g/mol
Molecular Formula C27H22IN5O3S
Exact Mass 623.048806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXhep8Ce8b3
Name N-(6-iodo-2-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)isonicotinamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H22IN5O3S/c1-36-23-8-5-18(14-19(23)16-37-24-4-2-3-11-30-24)25-31-22-7-6-20(28)15-21(22)27(35)33(25)32-26(34)17-9-12-29-13-10-17/h2-15,25,31H,16H2,1H3,(H,32,34)
InChIKey LUKCWEYYWQFRAG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16640
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8152721; UBI_ID: UBI-016643
Temperature 318 °C